01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Butyl-2-ethylhexyl phthalate
- Molecular Formula
- C20H30O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCC
- Isomeric SMILES
- CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCC
- InChI
- InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
- Oral Bioavailability
- 44.520
- Drug Likeness
- 0.421
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs